Geometry & MOs

Info

ID:	223696
PubChem CID:	85335435
Reduced:	Cl2N2O4C25H30 (1)
Stoich.:	A2B2C4D25E30 (1)
Weight, g/mol:	492.169496
ΔH_f, kcal/mol:	-144.93
Dipole, Da:	3.12
IP(EA), eV:	-9.11(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylcarbamoylamino]methyl]-N-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1Cl)OC2CCN(CC2)CC3CN(CCO3)C(C4=CC=CC=C4)C(=O)O)Cl

DOS

IR

Vibrations