Geometry & MOs

Info

ID:	56817
PubChem CID:	22391165
Reduced:	NSO2C21H23 (1)
Stoich.:	ABC2D21E23 (1)
Weight, g/mol:	349.179027
ΔH_f, kcal/mol:	-7.17
Dipole, Da:	2.94
IP(EA), eV:	-8.38(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-methoxy-3-(6-methoxypyridazin-3-yl)phenyl]methyl]-1-phenylethanamine

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)OC)NCC2=CC(=C(C=C2)OC)C3=CSC=C3

DOS

IR

Vibrations