Geometry & MOs

Info

ID:	427875
PubChem CID:	135164829
Reduced:	O2N3C25H33 (1)
Stoich.:	A2B3C25D33 (1)
Weight, g/mol:	335.199762
ΔH_f, kcal/mol:	-45.72
Dipole, Da:	8.84
IP(EA), eV:	-8.87(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azetidin-3-yl)-N-[[3-prop-2-enoxy-5-[(E)-2-pyridin-3-ylethenyl]phenyl]methyl]methanamine

Drug info:

PubChemData

Smile

CC(C)COC1=CC(=CC(=C1)/C=C/C2=CC(=CC=C2)C(=O)N)CNCC3CCNC3

DOS

IR

Vibrations