Geometry & MOs

Info

ID:	69035
PubChem CID:	46516386
Reduced:	FOSN7C25H26 (1)
Stoich.:	ABCD7E25F26 (1)
Weight, g/mol:	370.116486
ΔH_f, kcal/mol:	46.54
Dipole, Da:	4.69
IP(EA), eV:	-8.87(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxycarbonylphenyl)methyl 4-(cyclopropylamino)-3-nitrobenzoate

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)C3=NN(C(=N3)C4=CC=CS4)C5=CC(=CC=C5)F

DOS

IR

Vibrations