Geometry & MOs

Info

ID:	358224
PubChem CID:	127295769
Reduced:	O2N5C19H31 (1)
Stoich.:	A2B5C19D31 (1)
Weight, g/mol:	349.272927
ΔH_f, kcal/mol:	-84.11
Dipole, Da:	5.55
IP(EA), eV:	-9.3(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopentylacetyl)-N-(3-methylcyclohexyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(CN1C=CN=C1)NC(=O)N2CCCN(CC2)C(=O)CC3CCCC3

DOS

IR

Vibrations