Geometry & MOs

Info

ID:	182668
PubChem CID:	76921788
Reduced:	O2N4C15H32 (1)
Stoich.:	A2B4C15D32 (1)
Weight, g/mol:	284.163711
ΔH_f, kcal/mol:	-87.13
Dipole, Da:	4.4
IP(EA), eV:	-8.84(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1-cyclopropylpyrrolidin-3-yl)amino]methyl]-4aH-quinazolin-4-one

Drug info:

PubChemData

Smile

CCC(CC)(C(=NO)N)C(=O)NC(CC(C)C)CN(C)C

DOS

IR

Vibrations