Geometry & MOs

Info

ID:	392268
PubChem CID:	135014054
Reduced:	NO8C17H21 (1)
Stoich.:	AB8C17D21 (1)
Weight, g/mol:	299.142248
ΔH_f, kcal/mol:	-328.16
Dipole, Da:	3.3
IP(EA), eV:	-9.28(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-methyl-4,13,16-triazapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3(8),4,6,11,13,15(20),16,18-nonaene

Drug info:

PubChemData

Smile

CC(=O)NC1[C@@H](OC([C@H](C1O)O)CO)OC(=O)/C=C/C2=CC=C(C=C2)O

DOS

IR

Vibrations