Geometry & MOs

Info

ID:	187049
PubChem CID:	77525930
Reduced:	O5C24H30 (1)
Stoich.:	A5B24C30 (1)
Weight, g/mol:	412.269908
ΔH_f, kcal/mol:	-144.93
Dipole, Da:	6.38
IP(EA), eV:	-10.02(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-amino-2-methylpropan-2-yl)-4-[[2-(diaminomethylideneamino)cyclohexyl]amino]-6-methylquinazoline-2-carboxamide

Drug info:

PubChemData

Smile

CC1CC2C3CCC4=CC(=O)C5=C(C4(C3CCC2(C1C(=O)CCC(=O)O)C)C)O5

DOS

IR

Vibrations