Geometry & MOs

Info

ID:	18
PubChem CID:	1957
Reduced:	O2N5C21H27 (1)
Stoich.:	A2B5C21D27 (1)
Weight, g/mol:	381.216475
ΔH_f, kcal/mol:	-40.46
Dipole, Da:	7.32
IP(EA), eV:	-8.78(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-amino-3-phenylpropanoyl)-N-[2-(pyridin-4-ylamino)ethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)N)C(=O)NCCNC3=CC=NC=C3

DOS

IR

Vibrations