Geometry & MOs

Info

ID:	316144
PubChem CID:	126630204
Reduced:	O3N4C27H28 (1)
Stoich.:	A3B4C27D28 (1)
Weight, g/mol:	415.11469
ΔH_f, kcal/mol:	-53.74
Dipole, Da:	4.21
IP(EA), eV:	-9.21(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[2-(3-bromophenyl)-3,4-dihydro-1H-naphthalen-2-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1(CC(C2=CC=CC=C21)O)C3=CC=CC(=C3)C4=C5C=CNC5=NC=N4

DOS

IR

Vibrations