Geometry & MOs

Info

ID:	183970
PubChem CID:	77095724
Reduced:	O3N7C15H17 (1)
Stoich.:	A3B7C15D17 (1)
Weight, g/mol:	295.204848
ΔH_f, kcal/mol:	17.22
Dipole, Da:	3.84
IP(EA), eV:	-9.78(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-ethylpyrimidin-4-yl)methyl]-4-phenylazepane

Drug info:

PubChemData

Smile

CC1=NC2=NN=C(N2C=C1)C(=O)NCCC3=NOC(=N3)C4CCCO4

DOS

IR

Vibrations