Geometry & MOs

Info

ID:	434367
PubChem CID:	135174800
Reduced:	N2O6C27H38 (1)
Stoich.:	A2B6C27D38 (1)
Weight, g/mol:	425.221561
ΔH_f, kcal/mol:	-242.48
Dipole, Da:	3.69
IP(EA), eV:	-8.56(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(E)-2-[4-phenylmethoxy-6-[(pyrrolidin-3-ylmethylamino)methyl]pyridin-2-yl]ethenyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)COCOCCC(=O)NC)C2=C(C=CC(=C2)C)OCCCCOCC(=O)NC

DOS

IR

Vibrations