Geometry & MOs

Info

ID:	296859
PubChem CID:	117597334
Reduced:	ClN3O8C33H42 (1)
Stoich.:	AB3C8D33E42 (1)
Weight, g/mol:	641.277087
ΔH_f, kcal/mol:	-276.23
Dipole, Da:	5.42
IP(EA), eV:	-8.04(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 4-aminobenzoate;2,3-dihydroxybutanedioic acid;N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)N(CCCl)N=O.CC(C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC

DOS

IR

Vibrations