Geometry & MOs

Info

ID:	243215
PubChem CID:	99217048
Reduced:	O3N5C26H33 (1)
Stoich.:	A3B5C26D33 (1)
Weight, g/mol:	433.21139
ΔH_f, kcal/mol:	-91.51
Dipole, Da:	5.13
IP(EA), eV:	-8.25(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[3-[[(2R)-2-carbamoylpyrrolidin-1-yl]methyl]anilino]-3-oxopropyl]-1H-indole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CN2C=C(N=C2C=C1)CNC(=O)C3(CCN(CC3)C(=O)OC(C)(C)C)NC4=CC=CC=C4

DOS

IR

Vibrations