Geometry & MOs

Info

ID:	348425
PubChem CID:	127273526
Reduced:	O2N5C21H29 (1)
Stoich.:	A2B5C21D29 (1)
Weight, g/mol:	377.304228
ΔH_f, kcal/mol:	-21.71
Dipole, Da:	7.59
IP(EA), eV:	-8.46(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=NC=C(C=C2)C(=O)NC3(CCCCC3)C4=NOC(=N4)C

DOS

IR

Vibrations