Geometry & MOs

Info

ID:	244689
PubChem CID:	99376411
Reduced:	ClO2N7C20H22 (1)
Stoich.:	AB2C7D20E22 (1)
Weight, g/mol:	390.180424
ΔH_f, kcal/mol:	27.14
Dipole, Da:	5.47
IP(EA), eV:	-9.53(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(E)-3-(1-benzyltriazol-4-yl)prop-2-enoyl]amino]-N-(pyridin-4-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CC[C@H](C(=O)NCCC(=O)NCC1=CC=NC=C1)N2N=C(N=N2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations