Geometry & MOs

Info

ID:	358145
PubChem CID:	127295690
Reduced:	O2N3C18H31 (1)
Stoich.:	A2B3C18D31 (1)
Weight, g/mol:	378.299476
ΔH_f, kcal/mol:	-106.89
Dipole, Da:	3.73
IP(EA), eV:	-9.24(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopentylacetyl)-N-(1-propylpiperidin-4-yl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C1CC1)NC(=O)N2CCCN(CC2)C(=O)CC3CCCC3

DOS

IR

Vibrations