Geometry & MOs

Info

ID:	280899
PubChem CID:	103851820
Reduced:	O2N3C11H21 (1)
Stoich.:	A2B3C11D21 (1)
Weight, g/mol:	315.194677
ΔH_f, kcal/mol:	-64.74
Dipole, Da:	3.22
IP(EA), eV:	-9.05(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[(2-cyanophenyl)methylamino]-2-cyclopropylethyl]carbamate

Drug info:

PubChemData

Smile

CCOCC(CNCC1=C(N(N=C1)C)C)O

DOS

IR

Vibrations