Geometry & MOs

Info

ID:	441938
PubChem CID:	135246807
Reduced:	ON2C25H30 (1)
Stoich.:	AB2C25D30 (1)
Weight, g/mol:	384.195011
ΔH_f, kcal/mol:	5.47
Dipole, Da:	2.41
IP(EA), eV:	-8.93(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-3-[2-[[4-[2-(1-methylpyrazol-4-yl)ethyl]phenyl]methyl]pyridin-3-yl]pyridine

Drug info:

PubChemData

Smile

CCC1=C(C=CC=N1)C2=C(N=CC=C2)CC3=CC=C(C=C3)C(C)(C)COCC

DOS

IR

Vibrations