Geometry & MOs

Info

ID:	271187
PubChem CID:	103647212
Reduced:	ON2C8H13 (2)
Stoich.:	AB2C8D13 (2)
Weight, g/mol:	292.215078
ΔH_f, kcal/mol:	-74.73
Dipole, Da:	6.37
IP(EA), eV:	-8.98(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[(2,3-dimethylphenyl)methylamino]propyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=C(N1C)C#N)CNCCCNC(=O)OC(C)(C)C

DOS

IR

Vibrations