Geometry & MOs

Info

ID:	143446
PubChem CID:	53210300
Reduced:	ClO2N4C19H19 (1)
Stoich.:	AB2C4D19E19 (1)
Weight, g/mol:	336.158626
ΔH_f, kcal/mol:	-13.31
Dipole, Da:	7.37
IP(EA), eV:	-8.88(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-methyl-N-(2-phenylpropyl)-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide

Drug info:

PubChemData

Smile

CCC1CN2C=NC3=C(C2=N1)C(=C(O3)C)C(=O)NC4=C(C(=CC=C4)Cl)C

DOS

IR

Vibrations