Geometry & MOs

Info

ID:	358180
PubChem CID:	127295725
Reduced:	O2N3C18H31 (1)
Stoich.:	A2B3C18D31 (1)
Weight, g/mol:	377.213698
ΔH_f, kcal/mol:	-104.76
Dipole, Da:	5.44
IP(EA), eV:	-9.3(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopentylacetyl)-N-[(5-ethylthiophen-2-yl)methyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CC1CNC(=O)N2CCCN(CC2)C(=O)CC3CCCC3

DOS

IR

Vibrations