Geometry & MOs

Info

ID:	336340
PubChem CID:	127255347
Reduced:	ON7C19H25 (1)
Stoich.:	AB7C19D25 (1)
Weight, g/mol:	303.169525
ΔH_f, kcal/mol:	58.55
Dipole, Da:	8.79
IP(EA), eV:	-9.24(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-N-[2-(4-hydroxyphenyl)ethyl]-3-methyl-2-(tetrazol-1-yl)pentanamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N1CCC(CC1)C2=NC3=CC=CC=C3N2)N4C=NN=N4

DOS

IR

Vibrations