Geometry & MOs

Info

ID:	146149
PubChem CID:	53643907
Reduced:	O2N6C29H30 (1)
Stoich.:	A2B6C29D30 (1)
Weight, g/mol:	414.263091
ΔH_f, kcal/mol:	19.85
Dipole, Da:	4.49
IP(EA), eV:	-8.8(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[1-[3-[(1-methylindole-3-carbonyl)amino]propyl]pyrrolidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=CC=CC=N1)C2=NC=C(N2C)C3=CC=C(C=C3)N4C=NC5=CC=CC=C54

DOS

IR

Vibrations