Geometry & MOs

Info

ID:	330515
PubChem CID:	127247922
Reduced:	O2N4C19H28 (1)
Stoich.:	A2B4C19D28 (1)
Weight, g/mol:	346.164105
ΔH_f, kcal/mol:	-68.5
Dipole, Da:	3.41
IP(EA), eV:	-8.43(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,1-dimethyl-4-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1CN(CCN(C1)C(=O)CCN2CCC3=CC=CC=C32)C

DOS

IR

Vibrations