Geometry & MOs

Info

ID:	208231
PubChem CID:	80506218
Reduced:	O2N6C11H18 (1)
Stoich.:	A2B6C11D18 (1)
Weight, g/mol:	202.110613
ΔH_f, kcal/mol:	19.97
Dipole, Da:	6.21
IP(EA), eV:	-8.97(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-amino-3-phenylpropyl)prop-2-ynamide

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CN)C2=NC(=C(C=C2)[N+](=O)[O-])N

DOS

IR

Vibrations