Geometry & MOs

Info

ID:	194920
PubChem CID:	78609611
Reduced:	N3O4C18H25 (1)
Stoich.:	A3B4C18D25 (1)
Weight, g/mol:	384.203565
ΔH_f, kcal/mol:	-133.14
Dipole, Da:	7.93
IP(EA), eV:	-8.81(0.19)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-4aH-quinazolin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(NN2)C(=O)OCC(=O)NCCOC3=CC=CC=C3

DOS

IR

Vibrations