Geometry & MOs

Info

ID:	72406
PubChem CID:	48416139
Reduced:	N2O5C23H28 (1)
Stoich.:	A2B5C23D28 (1)
Weight, g/mol:	382.164105
ΔH_f, kcal/mol:	-199.76
Dipole, Da:	7.13
IP(EA), eV:	-8.64(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2H-benzotriazole-5-carbonylamino)methyl]-3-(4-ethoxyphenyl)propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=C(C3=C(N2)CCCC3=O)C)C(=O)OC

DOS

IR

Vibrations