Geometry & MOs

Info

ID:	223350
PubChem CID:	85334900
Reduced:	NOC12H17 (1)
Stoich.:	ABC12D17 (1)
Weight, g/mol:	192.101111
ΔH_f, kcal/mol:	-10.65
Dipole, Da:	4.2
IP(EA), eV:	-8.67(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-(2-amino-1,2-dicyanoethenyl)butanimidate

Drug info:

PubChemData

Smile

CC=CC=CC=CCCC=CC(=O)N

DOS

IR

Vibrations