Geometry & MOs

Info

ID:	330606
PubChem CID:	127248013
Reduced:	ON2C8H13 (2)
Stoich.:	AB2C8D13 (2)
Weight, g/mol:	281.185175
ΔH_f, kcal/mol:	-56.02
Dipole, Da:	3.96
IP(EA), eV:	-8.92(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CN(C)CC1(CCN(C1)C(=O)CN(C)CC2=CN=CC=C2)O

DOS

IR

Vibrations