Geometry & MOs

Info

ID:	418175
PubChem CID:	135103754
Reduced:	NO5C18H21 (1)
Stoich.:	AB5C18D21 (1)
Weight, g/mol:	389.185175
ΔH_f, kcal/mol:	-182.58
Dipole, Da:	6.85
IP(EA), eV:	-9.98(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,4R)-7-(2H-benzotriazole-5-carbonyl)-2-benzyl-N-methyl-7-azabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=O)N2C[C@]3(C[C@]3(C2)C(=O)O)C(=O)O

DOS

IR

Vibrations