Geometry & MOs

Info

ID:	164646
PubChem CID:	74430727
Reduced:	SN6C19H24 (1)
Stoich.:	AB6C19D24 (1)
Weight, g/mol:	553.268905
ΔH_f, kcal/mol:	102.53
Dipole, Da:	5.02
IP(EA), eV:	-8.7(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[1-[2-(benzylamino)-2-oxoethyl]-3-oxo-2,4,5,10-tetrahydro-1H-azepino[3,4-b]indol-4-yl]-3-(4-hydroxy-2,6-dimethylphenyl)propanamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=C(N=CN=C2S1)NN=CC3=CC=CC(=N3)CN(C)C

DOS

IR

Vibrations