Geometry & MOs

Info

ID:	305577
PubChem CID:	124960809
Reduced:	ClO2N4H17C19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	342.205576
ΔH_f, kcal/mol:	8.79
Dipole, Da:	5.12
IP(EA), eV:	-9.51(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-1-[3-(1H-indol-3-yl)propanoyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)C2=CN=CN=C2)C3=NC=C(O3)CC4=CC(=CC=C4)Cl

DOS

IR

Vibrations