Geometry & MOs

Info

ID:	364413
PubChem CID:	127315652
Reduced:	SO2N3C14H25 (1)
Stoich.:	AB2C3D14E25 (1)
Weight, g/mol:	264.163791
ΔH_f, kcal/mol:	-96.29
Dipole, Da:	1.82
IP(EA), eV:	-8.82(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,7-dimethyl-1,4-diazepan-1-yl)-(2-fluoro-5-methylphenyl)methanone

Drug info:

PubChemData

Smile

CCC(=O)N1CSCC1C(=O)N2CCN(CCC2C)C

DOS

IR

Vibrations