Geometry & MOs

Info

ID:	242774
PubChem CID:	99206209
Reduced:	N3O4C25H33 (1)
Stoich.:	A3B4C25D33 (1)
Weight, g/mol:	391.128054
ΔH_f, kcal/mol:	-142.0
Dipole, Da:	4.48
IP(EA), eV:	-8.28(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[4-[(5-oxo-1H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]phenyl]carbamate

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)[C@H](C)NC(=O)C2=CC=C(C=C2)N3CCC[C@@H](C3)C(=O)N)OC

DOS

IR

Vibrations