Geometry & MOs

Info

ID:	155268
PubChem CID:	56352850
Reduced:	O3N4C23H36 (1)
Stoich.:	A3B4C23D36 (1)
Weight, g/mol:	413.213698
ΔH_f, kcal/mol:	-141.44
Dipole, Da:	1.11
IP(EA), eV:	-8.75(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C(C(C)C)C(=O)NCC2=CC(=CC=C2)NC(=O)N3CCCC3

DOS

IR

Vibrations