Geometry & MOs

Info

ID:	428141
PubChem CID:	135166255
Reduced:	N4O24C37H64 (1)
Stoich.:	A4B24C37D64 (1)
Weight, g/mol:	323.163377
ΔH_f, kcal/mol:	-1018.0
Dipole, Da:	6.63
IP(EA), eV:	-9.7(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3-(1-ethyl-4-methylbenzotriazol-5-yl)propanoate

Drug info:

PubChemData

Smile

COCC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC)/C=N/NC(=O)CCCCC(=O)NNCC3C(C(C(C(O3)OC)O)O)OC4C(C(C(C(O4)COCC(=O)O)OC)O)O)O)O)OC

DOS

IR

Vibrations