Geometry & MOs

Info

ID:	39380
PubChem CID:	8140552
Reduced:	OSN5C22H27 (1)
Stoich.:	ABC5D22E27 (1)
Weight, g/mol:	324.220164
ΔH_f, kcal/mol:	41.89
Dipole, Da:	7.74
IP(EA), eV:	-8.86(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(2-methylpropyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCC3=CC=CC=C3CN(C)C)C

DOS

IR

Vibrations