Geometry & MOs

Info

ID:	299091
PubChem CID:	117671078
Reduced:	ON7H21C22 (1)
Stoich.:	AB7C21D22 (1)
Weight, g/mol:	301.215413
ΔH_f, kcal/mol:	100.69
Dipole, Da:	7.73
IP(EA), eV:	-8.8(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[[1-methyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CN=C(C=C1)C2=CN=CC=C2)NC3=CN=C(C=C3)C4=CC=NN4C

DOS

IR

Vibrations