Geometry & MOs

Info

ID:	252138
PubChem CID:	103109400
Reduced:	N3O3C14H21 (1)
Stoich.:	A3B3C14D21 (1)
Weight, g/mol:	293.173942
ΔH_f, kcal/mol:	-49.5
Dipole, Da:	6.14
IP(EA), eV:	-9.21(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2,2,3-trimethyl-N-[(2-methyl-3-nitrophenyl)methyl]butanamide

Drug info:

PubChemData

Smile

CCNCC(C)C(=O)NCC1=C(C(=CC=C1)[N+](=O)[O-])C

DOS

IR

Vibrations