Geometry & MOs

Info

ID:	306699
PubChem CID:	125165381
Reduced:	O2N3C20H27 (1)
Stoich.:	A2B3C20D27 (1)
Weight, g/mol:	327.20591
ΔH_f, kcal/mol:	-69.47
Dipole, Da:	4.77
IP(EA), eV:	-9.22(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-dimethylpyrazol-4-yl)-1-methyl-1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]urea

Drug info:

PubChemData

Smile

C1CCC(=CC1)CNC(=O)C[C@@H]2C(=O)NCCN2CC3=CC=CC=C3

DOS

IR

Vibrations