Geometry & MOs

Info

ID:	173762
PubChem CID:	75679640
Reduced:	O2N4C23H29 (1)
Stoich.:	A2B4C23D29 (1)
Weight, g/mol:	363.218487
ΔH_f, kcal/mol:	10.37
Dipole, Da:	7.67
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.964819
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[1-(4-methylphenyl)-2-[[3-(pyrazol-1-ylmethyl)benzoyl]amino]ethyl]azanium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(CNC(=O)C2=CC(=NN2C)C3=CC=C(C=C3)OC)[NH+](C)C

DOS

IR

Vibrations