Geometry & MOs

Info

ID:	173770
PubChem CID:	75680035
Reduced:	OSN3C17H24 (1)
Stoich.:	ABC3D17E24 (1)
Weight, g/mol:	247.14331
ΔH_f, kcal/mol:	26.84
Dipole, Da:	2.1
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.994693
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-imidazol-2-ylmethyl)-2-methyl-3-(3-methylpyrazol-1-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)C[NH+]2CCN(CC2)CC(C3=CC=CS3)O

DOS

IR

Vibrations