Geometry & MOs

Info

ID:	417370
PubChem CID:	135092857
Reduced:	ClO5N6C28H33 (1)
Stoich.:	AB5C6D28E33 (1)
Weight, g/mol:	312.195011
ΔH_f, kcal/mol:	-123.4
Dipole, Da:	5.36
IP(EA), eV:	-9.46(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-indene-1-carboxamide

Drug info:

PubChemData

Smile

COCC(=O)N1CCCNC(=O)[C@@H](NC(=O)C2=CC(=C(C=C2)OCCCN3C=C(C1)N=N3)Cl)CC4=CC=CC=C4

DOS

IR

Vibrations