Geometry & MOs

Info

ID:	445822
PubChem CID:	135269675
Reduced:	O2N4C23H32 (1)
Stoich.:	A2B4C23D32 (1)
Weight, g/mol:	158.048013
ΔH_f, kcal/mol:	-7.36
Dipole, Da:	3.87
IP(EA), eV:	-8.11(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-cyano-4-methylphenyl) cyanate

Drug info:

PubChemData

Smile

CC1CN(CC(N1CC2=CC=C(C=C2)C(=O)NO)C)CC3=CC=C(C=C3)N(C)C

DOS

IR

Vibrations