Geometry & MOs

Info

ID:	126604
PubChem CID:	50969642
Reduced:	N3O3H19C21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	319.146681
ΔH_f, kcal/mol:	-32.43
Dipole, Da:	5.13
IP(EA), eV:	-9.22(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylmethylamino)-N-(1,3-thiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C(=O)C2=CC=CC=C2NC(=O)COC3=CN=CC=C3

DOS

IR

Vibrations