Geometry & MOs

Info

ID:	441773
PubChem CID:	135244255
Reduced:	NC20H33 (1)
Stoich.:	AB20C33 (1)
Weight, g/mol:	587.372307
ΔH_f, kcal/mol:	-17.86
Dipole, Da:	1.25
IP(EA), eV:	-8.35(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[5-[13-[benzoyl(methyl)amino]-4-hydroxy-17-azapentacyclo[7.5.3.210,14.01,10.02,7]nonadeca-2(7),3,5-trien-17-yl]pentyl]carbamate

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)C)C2(CCCC2(C)C)CN(C)CC

DOS

IR

Vibrations