Geometry & MOs

Info

ID:	230413
PubChem CID:	87570825
Reduced:	N3C32H65 (1)
Stoich.:	A3B32C65 (1)
Weight, g/mol:	337.180681
ΔH_f, kcal/mol:	-107.22
Dipole, Da:	1.87
IP(EA), eV:	-8.52(1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-[(E)-3-diethoxyphosphorylprop-1-enyl]phenyl]methyl]pyrrolidine

Drug info:

PubChemData

Smile

CCC(CCCCCCCN=C(C)CC(C)C)NC(CC)CCCCCCCN=C(C)CC(C)C

DOS

IR

Vibrations