Geometry & MOs

Info

ID:	367408
PubChem CID:	127324564
Reduced:	OSN5C16H25 (1)
Stoich.:	ABC5D16E25 (1)
Weight, g/mol:	381.252861
ΔH_f, kcal/mol:	-0.42
Dipole, Da:	2.62
IP(EA), eV:	-8.65(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-cyclopropylpyrrolidin-3-yl)-1-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-1-methylurea

Drug info:

PubChemData

Smile

CC1=CSC(=N1)N2CCN(CC2)C(=O)NC3CCN(C3)C4CC4

DOS

IR

Vibrations