Geometry & MOs

Info

ID:	358365
PubChem CID:	127295910
Reduced:	O2N5C18H29 (1)
Stoich.:	A2B5C18D29 (1)
Weight, g/mol:	252.158626
ΔH_f, kcal/mol:	-70.54
Dipole, Da:	5.92
IP(EA), eV:	-8.59(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-(oxan-3-ylmethyl)-3-(triazol-1-yl)propanamide

Drug info:

PubChemData

Smile

CCN1CCC(CC1)N2C(=CC=N2)NC(=O)C3CCCN(C3)C(=O)C

DOS

IR

Vibrations