Geometry & MOs

Info

ID:	285097
PubChem CID:	104097872
Reduced:	SN3O3C9H13 (1)
Stoich.:	AB3C3D9E13 (1)
Weight, g/mol:	290.126657
ΔH_f, kcal/mol:	-27.67
Dipole, Da:	8.01
IP(EA), eV:	-9.39(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(1-cyclopropylcyclopropyl)methylamino]-4-nitrobenzoate

Drug info:

PubChemData

Smile

CC(C(=O)NC)NCC1=CC=C(S1)[N+](=O)[O-]

DOS

IR

Vibrations