Geometry & MOs

Info

ID:	261669
PubChem CID:	103244775
Reduced:	N3O4C14H21 (1)
Stoich.:	A3B4C14D21 (1)
Weight, g/mol:	228.183778
ΔH_f, kcal/mol:	-74.61
Dipole, Da:	6.56
IP(EA), eV:	-8.84(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-(dimethylamino)butylamino]-2-methylbut-2-enoate

Drug info:

PubChemData

Smile

CN(C)CCCCNCC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations