Geometry & MOs

Info

ID:	179205
PubChem CID:	76450987
Reduced:	N3O6C29H42 (1)
Stoich.:	A3B6C29D42 (1)
Weight, g/mol:	232.121178
ΔH_f, kcal/mol:	-209.17
Dipole, Da:	6.74
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.859003
Charge, e:	0

Chem-info

IUPAC name:

(1-cyano-3-phenylpropyl) N,N-dimethylcarbamate

Drug info:

PubChemData

Smile

CN1C2CC(CC1C(C2)O)OC(=O)C(CO)C3=CC=CC=C3.CN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C

DOS

IR

Vibrations