Geometry & MOs

Info

ID:	358278
PubChem CID:	127295823
Reduced:	ON5C17H29 (1)
Stoich.:	AB5C17D29 (1)
Weight, g/mol:	385.272927
ΔH_f, kcal/mol:	-31.26
Dipole, Da:	5.66
IP(EA), eV:	-8.72(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C=C1C(C)NC(=O)N2CCC(C2)N3CCCCC3)C

DOS

IR

Vibrations