Geometry & MOs

Info

ID:	364457
PubChem CID:	127315709
Reduced:	ClON2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	253.124883
ΔH_f, kcal/mol:	-30.71
Dipole, Da:	5.51
IP(EA), eV:	-8.95(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,7-dimethyl-1,4-diazepan-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations