Geometry & MOs

Info

ID:	231780
PubChem CID:	87574647
Reduced:	N2O2C27H28 (1)
Stoich.:	A2B2C27D28 (1)
Weight, g/mol:	188.094963
ΔH_f, kcal/mol:	-7.14
Dipole, Da:	3.54
IP(EA), eV:	-8.69(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-isocyanatoethenyl)-N,N-dimethylaniline

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC3=C(C=C2/C(=N/O)/C)N(C(=O)CC3(C)C)CC4=CC=CC=C4

DOS

IR

Vibrations