Geometry & MOs

Info

ID:	183916
PubChem CID:	77089128
Reduced:	O3N4C18H22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	283.129632
ΔH_f, kcal/mol:	-57.56
Dipole, Da:	2.89
IP(EA), eV:	-8.96(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine

Drug info:

PubChemData

Smile

COC1=C(C=CC=N1)C(=O)NCC(C2=CC=NC=C2)N3CCOCC3

DOS

IR

Vibrations