Geometry & MOs

Info

ID:	143481
PubChem CID:	53215835
Reduced:	ON2C11H24 (1)
Stoich.:	AB2C11D24 (1)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	-68.95
Dipole, Da:	1.63
IP(EA), eV:	-8.83(2.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1,4-diazepane-1-carbonyl)-2-methoxybenzonitrile

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)CCNC(C)C

DOS

IR

Vibrations