Geometry & MOs

Info

ID:	157722
PubChem CID:	56436659
Reduced:	O3N4C27H28 (1)
Stoich.:	A3B4C27D28 (1)
Weight, g/mol:	400.189926
ΔH_f, kcal/mol:	-2.15
Dipole, Da:	5.82
IP(EA), eV:	-8.75(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-1-(4-pyrazol-1-ylphenyl)methanamine

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)CNCC2=CC=C(C=C2)N3C=CC=N3)OCC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations