Geometry & MOs

Info

ID:	348187
PubChem CID:	127273249
Reduced:	ON2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	373.284161
ΔH_f, kcal/mol:	-68.7
Dipole, Da:	7.19
IP(EA), eV:	-9.01(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclohexylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN2C=C(N=C2C1)CNC(=O)N3CCOC4C3CCC4

DOS

IR

Vibrations