Geometry & MOs

Info

ID:	252922
PubChem CID:	103114955
Reduced:	N2O3C16H22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	232.121178
ΔH_f, kcal/mol:	-40.43
Dipole, Da:	5.2
IP(EA), eV:	-9.44(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methyl-3-nitrophenyl)methyl]pent-4-yn-1-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC2CCOC3(C2)CCC3

DOS

IR

Vibrations