Geometry & MOs

Info

ID:	415765
PubChem CID:	135088765
Reduced:	ON3C19H31 (1)
Stoich.:	AB3C19D31 (1)
Weight, g/mol:	377.24269
ΔH_f, kcal/mol:	-52.6
Dipole, Da:	3.45
IP(EA), eV:	-9.0(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1(CC(CC(N1)(C)C)N[C@@H]2COC[C@H]2CC3=CC=NC=C3)C

DOS

IR

Vibrations