Geometry & MOs

Info

ID:	397142
PubChem CID:	135029784
Reduced:	NPO6C13H26 (1)
Stoich.:	ABC6D13E26 (1)
Weight, g/mol:	382.204513
ΔH_f, kcal/mol:	-362.44
Dipole, Da:	4.52
IP(EA), eV:	-9.48(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dibenzyl-4-methyl-2,3a-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one

Drug info:

PubChemData

Smile

CCOP(=O)(CC(=O)N(C)CC(=O)OC(C)(C)C)OCC

DOS

IR

Vibrations