Geometry & MOs

Info

ID:	232915
PubChem CID:	87577633
Reduced:	NO7C35H55 (1)
Stoich.:	AB7C35D55 (1)
Weight, g/mol:	114.079313
ΔH_f, kcal/mol:	-313.88
Dipole, Da:	2.77
IP(EA), eV:	-8.9(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-nitrosoethyl)prop-2-en-1-amine

Drug info:

PubChemData

Smile

CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2C(=O)CN(C(=O)CO)OC)C)C)(C)C)O)C)C(=O)O

DOS

IR

Vibrations