Geometry & MOs

Info

ID:	312157
PubChem CID:	126603377
Reduced:	N7C18H33 (1)
Stoich.:	A7B18C33 (1)
Weight, g/mol:	439.269573
ΔH_f, kcal/mol:	31.35
Dipole, Da:	1.49
IP(EA), eV:	-8.66(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[[4-(2-oxo-8-propan-2-yl-10H-pyrimido[5,4-b][1,4]benzoxazin-3-yl)cyclohexyl]amino]propyl]guanidine

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)CN(CCCN=C(N)N)CCCN=C(N)N

DOS

IR

Vibrations