Geometry & MOs

Info

ID:	420980
PubChem CID:	135115155
Reduced:	ON4C16H20 (1)
Stoich.:	AB4C16D20 (1)
Weight, g/mol:	286.190595
ΔH_f, kcal/mol:	3.85
Dipole, Da:	4.15
IP(EA), eV:	-9.2(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N,2-N-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N[C@H]2COC[C@H]2CC3=CC=NC=C3)C

DOS

IR

Vibrations