Geometry & MOs

Info

ID:	348114
PubChem CID:	127273176
Reduced:	O2N4C19H30 (1)
Stoich.:	A2B4C19D30 (1)
Weight, g/mol:	386.192961
ΔH_f, kcal/mol:	-83.08
Dipole, Da:	5.66
IP(EA), eV:	-8.58(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-cyclopentyloxypyridin-3-yl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1CCC(CC1)NC(=O)NC2=CN=C(C=C2)OC3CCCC3

DOS

IR

Vibrations