Geometry & MOs

Info

ID:	343814
PubChem CID:	127266990
Reduced:	O2N4C13H22 (1)
Stoich.:	A2B4C13D22 (1)
Weight, g/mol:	301.115045
ΔH_f, kcal/mol:	-35.17
Dipole, Da:	3.42
IP(EA), eV:	-8.34(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[4-[[5-(trifluoromethyl)-1H-pyrrol-2-yl]methylamino]pyrazol-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(CNC1=CN(N=C1)CC(=O)NC)(C2CC2)OC

DOS

IR

Vibrations