Geometry & MOs

Info

ID:	376629
PubChem CID:	134222650
Reduced:	NO4C12H21 (1)
Stoich.:	AB4C12D21 (1)
Weight, g/mol:	389.210327
ΔH_f, kcal/mol:	-208.89
Dipole, Da:	3.96
IP(EA), eV:	-9.83(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1S)-1-[4-(5-amino-3-phenylpyridin-2-yl)phenyl]ethyl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)CC1CCC(CC1)N(C)C(=O)O

DOS

IR

Vibrations