Geometry & MOs

Info

ID:	76803
PubChem CID:	48425405
Reduced:	N3O3C23H31 (1)
Stoich.:	A3B3C23D31 (1)
Weight, g/mol:	312.158626
ΔH_f, kcal/mol:	-126.17
Dipole, Da:	5.38
IP(EA), eV:	-8.84(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyanomethyl)-N-[2-(diethylamino)-2-oxoethyl]indole-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)C(C(C)C)NC(=O)CC1=CC2=CC=CC=C2C=C1

DOS

IR

Vibrations