Geometry & MOs

Info

ID:	167363
PubChem CID:	74815577
Reduced:	O2N3C24H45 (1)
Stoich.:	A2B3C24D45 (1)
Weight, g/mol:	371.255935
ΔH_f, kcal/mol:	-91.88
Dipole, Da:	10.28
IP(EA), eV:	-4.93(1.0)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1-ethylpyrazol-4-yl)methyl-[2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]azanium

Drug info:

PubChemData

Smile

C1CCC(C1)CCC[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)NCC4CCCO4

DOS

IR

Vibrations