Geometry & MOs

Info

ID:	178068
PubChem CID:	76272492
Reduced:	N4O4C19H20 (1)
Stoich.:	A4B4C19D20 (1)
Weight, g/mol:	450.226705
ΔH_f, kcal/mol:	-89.76
Dipole, Da:	4.31
IP(EA), eV:	-9.04(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-aminoquinazolin-2-yl)methyl 1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)OCC1=NC2=CC=CC=C2C(=N1)N)NC(=O)C3=CC=CO3

DOS

IR

Vibrations