Geometry & MOs

Info

ID:	353451
PubChem CID:	127285010
Reduced:	O2N3C18H27 (1)
Stoich.:	A2B3C18D27 (1)
Weight, g/mol:	383.232125
ΔH_f, kcal/mol:	-86.03
Dipole, Da:	3.18
IP(EA), eV:	-8.99(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-1-(3-methylphenyl)-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)C(=O)NCC2(CCOCC2)N3CCCC3)C

DOS

IR

Vibrations