Geometry & MOs

Info

ID:	353198
PubChem CID:	127284378
Reduced:	O2N4C19H28 (1)
Stoich.:	A2B4C19D28 (1)
Weight, g/mol:	267.194677
ΔH_f, kcal/mol:	-48.9
Dipole, Da:	2.48
IP(EA), eV:	-8.96(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cycloheptanecarbonyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CCN(CC1=CC=C(C=C1)C(=O)N2CCCN(CC2)C(=O)N)C3CC3

DOS

IR

Vibrations