Geometry & MOs

Info

ID:	358238
PubChem CID:	127295783
Reduced:	O2N3C23H33 (1)
Stoich.:	A2B3C23D33 (1)
Weight, g/mol:	389.213698
ΔH_f, kcal/mol:	-100.96
Dipole, Da:	3.52
IP(EA), eV:	-9.21(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopentylacetyl)-N-[(4-methylsulfanylphenyl)methyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(CC2)NC(=O)N3CCCN(CC3)C(=O)CC4CCCC4

DOS

IR

Vibrations