Geometry & MOs

Info

ID:	316171
PubChem CID:	126630281
Reduced:	N5O5C31H41 (1)
Stoich.:	A5B5C31D41 (1)
Weight, g/mol:	200.163711
ΔH_f, kcal/mol:	-157.34
Dipole, Da:	3.52
IP(EA), eV:	-7.62(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[2-[4-(methylamino)piperidin-1-yl]ethyl]nitrous amide

Drug info:

PubChemData

Smile

C[C@@H]1C2=NC3=C(C=CC(=C3)/C=C/C(C(=O)NC(C(=O)NC(C(=O)N4CCCC(N4)C(=O)O1)C)C(C)C)(C)C)C=C2C

DOS

IR

Vibrations