Geometry & MOs

Info

ID:	137352
PubChem CID:	52195170
Reduced:	O2N4C23H41 (1)
Stoich.:	A2B4C23D41 (1)
Weight, g/mol:	407.156909
ΔH_f, kcal/mol:	-67.67
Dipole, Da:	3.59
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.814229
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

CC[NH+](CC)[C@@H](CC(C)C)CNC(=O)NCC1=CC=CC=C1CN2CCOCC2

DOS

IR

Vibrations