Geometry & MOs

Info

ID:	39379
PubChem CID:	8140540
Reduced:	O3N4C22H28 (1)
Stoich.:	A3B4C22D28 (1)
Weight, g/mol:	409.193632
ΔH_f, kcal/mol:	-6.95
Dipole, Da:	3.11
IP(EA), eV:	-9.01(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1CNC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations