Geometry & MOs

Info

ID:	364494
PubChem CID:	127315746
Reduced:	SN2O2C15H22 (1)
Stoich.:	AB2C2D15E22 (1)
Weight, g/mol:	264.163791
ΔH_f, kcal/mol:	-63.25
Dipole, Da:	5.07
IP(EA), eV:	-8.78(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,7-dimethyl-1,4-diazepan-1-yl)-(4-fluoro-3-methylphenyl)methanone

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=CC3=C(S2)CCOC3)C

DOS

IR

Vibrations