Geometry & MOs

Info

ID:	442435
PubChem CID:	135252042
Reduced:	FO2N7C32H32 (1)
Stoich.:	AB2C7D32E32 (1)
Weight, g/mol:	161.120449
ΔH_f, kcal/mol:	49.97
Dipole, Da:	5.52
IP(EA), eV:	-8.37(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-pent-1-en-2-ylaniline

Drug info:

PubChemData

Smile

CCC(NC1=CN=CC(=C1)C2=CC\3=C(C=C2)NN/C3=C\4/C=C5C(=CC=NC5=N4)C6=CC(=CC(=C6)F)OCCN(C)C)O

DOS

IR

Vibrations