Geometry & MOs

Info

ID:	337682
PubChem CID:	127258305
Reduced:	O2N3H16C17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	201.111341
ΔH_f, kcal/mol:	33.48
Dipole, Da:	6.68
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.770421
Charge, e:	0

Chem-info

IUPAC name:

[(E)-(1-amino-3,3-dimethyl-1-oxobutan-2-ylidene)amino] N-methylcarbamate

Drug info:

PubChemData

Smile

C/C(=C(/C(=O)N(CC1=CC=CC=C1)C2=CC=CC=C2)\[N+]#N)/O

DOS

IR

Vibrations