Geometry & MOs

Info

ID:	336574
PubChem CID:	127255581
Reduced:	N3O4C33H41 (1)
Stoich.:	A3B4C33D41 (1)
Weight, g/mol:	253.146664
ΔH_f, kcal/mol:	-140.87
Dipole, Da:	3.93
IP(EA), eV:	-9.35(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R,7R)-6-methyl-11-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,9,12,14-pentaen-4-yl]methanol

Drug info:

PubChemData

Smile

CC(C)C[C@@H](CNC(=O)[C@H](CCC1=CC=CC=C1)N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations