Geometry & MOs

Info

ID:	365288
PubChem CID:	127317650
Reduced:	O3N4C19H32 (1)
Stoich.:	A3B4C19D32 (1)
Weight, g/mol:	277.19026
ΔH_f, kcal/mol:	-161.74
Dipole, Da:	6.79
IP(EA), eV:	-8.32(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C)CN(C1CCN(CC1)C)C(=O)C2CCC3(CC2)C(=O)NC(=O)N3

DOS

IR

Vibrations