Geometry & MOs

Info

ID:	358223
PubChem CID:	127295768
Reduced:	ON5C16H27 (1)
Stoich.:	AB5C16D27 (1)
Weight, g/mol:	361.247775
ΔH_f, kcal/mol:	-31.2
Dipole, Da:	9.78
IP(EA), eV:	-9.1(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CN1C=CN=C1)NC(=O)N2CCC(C2)N3CCCCC3

DOS

IR

Vibrations