Geometry & MOs

Info

ID:	247713
PubChem CID:	103072847
Reduced:	N3C14H23 (1)
Stoich.:	A3B14C23 (1)
Weight, g/mol:	271.168462
ΔH_f, kcal/mol:	16.04
Dipole, Da:	5.39
IP(EA), eV:	-8.31(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-3-methyl-4H-quinazolin-2-one

Drug info:

PubChemData

Smile

CC(C)NCC(=C)CN1C=NC2=C1CCCC2

DOS

IR

Vibrations