Geometry & MOs

Info

ID:	354471
PubChem CID:	127287020
Reduced:	O2N6C17H30 (1)
Stoich.:	A2B6C17D30 (1)
Weight, g/mol:	306.216809
ΔH_f, kcal/mol:	-63.25
Dipole, Da:	3.63
IP(EA), eV:	-9.13(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(pyrrolidin-1-ylmethyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCCN2C(=O)NC(C)CN3C=NC=N3

DOS

IR

Vibrations