Geometry & MOs

Info

ID:	344277
PubChem CID:	127267453
Reduced:	O3N4C18H22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	338.120132
ΔH_f, kcal/mol:	-92.61
Dipole, Da:	2.22
IP(EA), eV:	-9.27(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-ylmethyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC2=C(C1)C(=CC=C2)NC(=O)C3=CN=CN3C

DOS

IR

Vibrations