Geometry & MOs

Info

ID:	222572
PubChem CID:	85305551
Reduced:	N3O3H19C22 (1)
Stoich.:	A3B3C19D22 (1)
Weight, g/mol:	373.188923
ΔH_f, kcal/mol:	-41.1
Dipole, Da:	2.2
IP(EA), eV:	-8.73(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 1-(hydroxymethyl)-5-(methoxymethoxy)-4-methyl-1,2-dihydrobenzo[e]indole-3-carboxylate

Drug info:

PubChemData

Smile

C=CCN1C(=O)C2CC3=C(C(N2C1=O)C4=CC(=CC=C4)O)NC5=CC=CC=C35

DOS

IR

Vibrations