Geometry & MOs

Info

ID:	81210
PubChem CID:	49854467
Reduced:	ClN2O3C25H31 (1)
Stoich.:	AB2C3D25E31 (1)
Weight, g/mol:	380.173607
ΔH_f, kcal/mol:	-126.93
Dipole, Da:	5.88
IP(EA), eV:	-8.65(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[[1-(3-methoxyphenyl)cyclopropyl]amino]propanoyl]-2,3-dihydroindole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(CC1CN(C2=C1C=C(C=C2)Cl)C(=O)CCNC(C)(C)C3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations