Geometry & MOs

Info

ID:	358245
PubChem CID:	127295790
Reduced:	O2N3C23H35 (1)
Stoich.:	A2B3C23D35 (1)
Weight, g/mol:	363.198048
ΔH_f, kcal/mol:	-110.0
Dipole, Da:	5.02
IP(EA), eV:	-9.06(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopentylacetyl)-N-[(3-methylthiophen-2-yl)methyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CCNC(=O)N2CCCN(CC2)C(=O)CC3CCCC3)C

DOS

IR

Vibrations