Geometry & MOs

Info

ID:	358267
PubChem CID:	127295812
Reduced:	O2N5C15H25 (1)
Stoich.:	A2B5C15D25 (1)
Weight, g/mol:	395.177583
ΔH_f, kcal/mol:	-44.57
Dipole, Da:	3.02
IP(EA), eV:	-8.82(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chloro-4-fluorophenyl)methyl]-4-(2-cyclopentylacetyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCNC(=O)N2CCC(C2)N3CCCCC3

DOS

IR

Vibrations