Geometry & MOs

Info

ID:	427882
PubChem CID:	135164901
Reduced:	O2N3C22H29 (1)
Stoich.:	A2B3C22D29 (1)
Weight, g/mol:	460.0917
ΔH_f, kcal/mol:	-18.14
Dipole, Da:	4.49
IP(EA), eV:	-8.76(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-[(E)-2-(2-bromo-4-chlorophenyl)ethenyl]-2-prop-2-enoxyphenyl]methyl]-1-pyrrolidin-3-ylmethanamine

Drug info:

PubChemData

Smile

C=CCOC1=CC(=CC(=C1)OCCC2=CN=CC=C2)CNCC3CCNC3

DOS

IR

Vibrations