Geometry & MOs

Info

ID:	440946
PubChem CID:	135232404
Reduced:	N2C5H7 (2)
Stoich.:	A2B5C7 (2)
Weight, g/mol:	614.412884
ΔH_f, kcal/mol:	49.65
Dipole, Da:	2.84
IP(EA), eV:	-8.12(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-[4-[[2-[[2-[3-[3-(cyclohexylamino)propylamino]propyl]tetrazol-5-yl]methylamino]-6-methylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropyl]amino]acetic acid

Drug info:

PubChemData

Smile

CCC1=NC=C(C=C1)C2NC=C(N2)N

DOS

IR

Vibrations