Geometry & MOs

Info

ID:	334734
PubChem CID:	127253409
Reduced:	N5O7C26H29 (1)
Stoich.:	A5B7C26D29 (1)
Weight, g/mol:	387.133139
ΔH_f, kcal/mol:	-181.43
Dipole, Da:	11.57
IP(EA), eV:	-8.55(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(1H-pyrazol-4-yl)propanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCN2C(=O)[C@@H](NC2=O)CCC(=O)N3C[C@H]4C[C@@H](C3)C5=CC=C(C(=O)N5C4)[N+](=O)[O-]

DOS

IR

Vibrations