Geometry & MOs

Info

ID:	439149
PubChem CID:	135228914
Reduced:	FNC23H32 (1)
Stoich.:	ABC23D32 (1)
Weight, g/mol:	354.303499
ΔH_f, kcal/mol:	-27.77
Dipole, Da:	2.0
IP(EA), eV:	-9.42(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-2-[2-[4-(1-tert-butylpyrrolidin-3-yl)pentan-2-yl]phenyl]prop-1-enyl]ethanimine

Drug info:

PubChemData

Smile

CC=NCC(C)C1=C(C(=CC=C1)F)C(C)CC(=C)C2CCC(=C)CC2

DOS

IR

Vibrations