Geometry & MOs

Info

ID:	364526
PubChem CID:	127315778
Reduced:	N2O2C13H20 (1)
Stoich.:	A2B2C13D20 (1)
Weight, g/mol:	246.173213
ΔH_f, kcal/mol:	-59.34
Dipole, Da:	5.56
IP(EA), eV:	-8.66(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=CC=C(O2)C)C

DOS

IR

Vibrations