Geometry & MOs

Info

ID:	290280
PubChem CID:	104426393
Reduced:	O3N4C13H20 (1)
Stoich.:	A3B4C13D20 (1)
Weight, g/mol:	290.210661
ΔH_f, kcal/mol:	-59.01
Dipole, Da:	3.27
IP(EA), eV:	-9.29(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylpropyl)-3-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)propanamide

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)[N+](=O)[O-])NCCC(=O)NCC(C)C

DOS

IR

Vibrations