Geometry & MOs

Info

ID:	347045
PubChem CID:	127271549
Reduced:	O2N5C10H17 (1)
Stoich.:	A2B5C10D17 (1)
Weight, g/mol:	306.216809
ΔH_f, kcal/mol:	-37.63
Dipole, Da:	6.72
IP(EA), eV:	-9.82(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(pyrrolidin-1-ylmethyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCOC1)C(=O)NCCN2C=NC=N2

DOS

IR

Vibrations