Geometry & MOs

Info

ID:	303573
PubChem CID:	124489918
Reduced:	NO2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	407.184506
ΔH_f, kcal/mol:	-153.52
Dipole, Da:	3.87
IP(EA), eV:	-8.24(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS)-N-(3-methoxyphenyl)-4-(2-methylpropyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide

Drug info:

PubChemData

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CC[C@H](C)[C@@H](C(=O)O)NC(=O)CCN1C=CC2=C1C(=CC=C2)OC

DOS

IR

Vibrations