Geometry & MOs

Info

ID:	364472
PubChem CID:	127315724
Reduced:	ClOSN2C12H17 (1)
Stoich.:	ABCD2E12F17 (1)
Weight, g/mol:	232.157563
ΔH_f, kcal/mol:	-17.62
Dipole, Da:	5.26
IP(EA), eV:	-8.82(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,7-dimethyl-1,4-diazepan-1-yl)-phenylmethanone

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=CC=C(S2)Cl)C

DOS

IR

Vibrations