Geometry & MOs

Info

ID:	147217
PubChem CID:	53786871
Reduced:	FO5N9H30C36 (1)
Stoich.:	AB5C9D30E36 (1)
Weight, g/mol:	372.192331
ΔH_f, kcal/mol:	-44.75
Dipole, Da:	9.26
IP(EA), eV:	-9.11(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-benzamidopropyl-[(4-methoxy-3-nitrophenyl)methyl]-dimethylazanium

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=NC(C(=O)N2CC(=O)C3=CC=CC=C3N(C(=O)C)C(=O)C)NC(=O)NC4=CC=CC(=C4)C5=NNN=N5)C6=CC=CC=C6F

DOS

IR

Vibrations