Geometry & MOs

Info

ID:	130074
PubChem CID:	51074844
Reduced:	N5H15C17 (1)
Stoich.:	A5B15C17 (1)
Weight, g/mol:	276.077789
ΔH_f, kcal/mol:	137.44
Dipole, Da:	6.57
IP(EA), eV:	-8.84(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(7-chloroquinazolin-4-yl)-1,4-diazepan-5-one

Drug info:

PubChemData

Smile

CN(CC1=CN(N=C1)C2=CC=CC=C2)C3=NC=C(C=C3)C#N

DOS

IR

Vibrations