Geometry & MOs

Info

ID:	424606
PubChem CID:	135123309
Reduced:	N2O3C10H14 (1)
Stoich.:	A2B3C10D14 (1)
Weight, g/mol:	409.236542
ΔH_f, kcal/mol:	-38.59
Dipole, Da:	5.1
IP(EA), eV:	-8.66(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3S)-3-(1-ethyl-4-methylbenzotriazol-5-yl)-3-[3-(hydroxymethyl)-4-methylphenyl]propanoate

Drug info:

PubChemData

Smile

CCNC1=C(C=CC(=C1[N+](=O)[O-])C)OC

DOS

IR

Vibrations