Geometry & MOs

Info

ID:	348051
PubChem CID:	127273113
Reduced:	O2N5C21H31 (1)
Stoich.:	A2B5C21D31 (1)
Weight, g/mol:	387.172896
ΔH_f, kcal/mol:	-59.0
Dipole, Da:	5.74
IP(EA), eV:	-8.29(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CCN(CC1)C(=O)NC2=CN=C(C=C2)N3CCN(CC3)C(=O)C4CC4)C

DOS

IR

Vibrations