Geometry & MOs

Info

ID:	400602
PubChem CID:	135048463
Reduced:	BNC12H18 (2)
Stoich.:	ABC12D18 (2)
Weight, g/mol:	553.385571
ΔH_f, kcal/mol:	34.64
Dipole, Da:	0.72
IP(EA), eV:	-8.75(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

lithium;tert-butyl N-(4-methoxyphenyl)-N-(phenylmethyl)carbamate;(1S,2R,9R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane

Drug info:

PubChemData

Smile

B1(N(B(N1C(CC=C)(CC=C)C=C)CC=C)C(CC=C)(CC=C)C=C)CC=C

DOS

IR

Vibrations