Geometry & MOs

Info

ID:	373101
PubChem CID:	131309948
Reduced:	O2N3C11H17 (1)
Stoich.:	A2B3C11D17 (1)
Weight, g/mol:	174.079313
ΔH_f, kcal/mol:	-63.6
Dipole, Da:	2.03
IP(EA), eV:	-9.27(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-amino-4-(4-hydroxyphenyl)but-3-enenitrile

Drug info:

PubChemData

Smile

COC(=O)C1=CN=CN1C2CCCNCC2

DOS

IR

Vibrations