Geometry & MOs

Info

ID:	137954
PubChem CID:	52290935
Reduced:	FON7C17H20 (1)
Stoich.:	ABC7D17E20 (1)
Weight, g/mol:	407.232125
ΔH_f, kcal/mol:	36.79
Dipole, Da:	5.7
IP(EA), eV:	-9.74(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]urea

Drug info:

PubChemData

Smile

CC1=NN=NN1[C@H](CC2=CC=C(C=C2)F)C(=O)NCCCN3C=CC=N3

DOS

IR

Vibrations